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Information card for entry 7039354
Preview
Coordinates | 7039354.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | no |
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Chemical name | phenyl substituted tin(IV) phthalocyanine |
Formula | C44 H25 Cl2 N8 Sn |
Calculated formula | C44 H25 Cl2 N8 Sn |
SMILES | [Sn]123(c4ccccc4)n4c5=Nc6c7c(c(=Nc8c9c(c(n28)N=c2c8c(c([n]12)N=c4c1c5cccc1)cccc8)cccc9)[n]36)cccc7.Clc1c(Cl)cccc1 |
Title of publication | SnPhPc phthalocyanines with dianion Pc(2-) and radical trianion Pc˙(3-) macrocycles: syntheses, structures, and properties. |
Authors of publication | Konarev, Dmitri V.; Kuzmin, Alexey V.; Nakano, Yoshiaki; Khasanov, Salavat S.; Ishikawa, Manabu; Otsuka, Akihiro; Yamochi, Hideki; Saito, Gunzi; Lyubovskaya, Rimma N. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 26 |
Pages of publication | 10780 - 10788 |
a | 9.8645 ± 0.0003 Å |
b | 12.9714 ± 0.0004 Å |
c | 14.1591 ± 0.0006 Å |
α | 86.32 ± 0.003° |
β | 71.315 ± 0.003° |
γ | 85.595 ± 0.002° |
Cell volume | 1709.68 ± 0.11 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 0.2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.03 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for significantly intense reflections | 0.0572 |
Weighted residual factors for all reflections included in the refinement | 0.0594 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7039354.html
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